(Z)-4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)sulfonyl-but-3-en-2-one

Systemtic Name: (Z)-4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)sulfonyl-but-3-en-2-one Openeye Name: (Z)-4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(p-tolylsulfonyl)but-3-en-2-one CAS Name: (Z)-4-[(4,6-dimethyl-2-pyrimidinyl)amino]-3-(4-methylphenyl)sulfonyl-3-buten-2-one IUPAC Name: (Z)-4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)sulfonylbut-3-en-2-one Traditional Name: (Z)-4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-tosyl-but-3-en-2-one Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=NC(=CC(=N2)C)C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C\NC2=NC(=CC(=N2)C)C)/C(=O)C

InChI

InChI=1S/C17H19N3O3S/c1-11-5-7-15(8-6-11)24(22,23)16(14(4)21)10-18-17-19-12(2)9-13(3)20-17/h5-10H,1-4H3,(H,18,19,20)/b16-10-